| SpectraBase Compound ID | 7UtvbX5mvKL |
|---|---|
| InChI | InChI=1S/C4H2N2O4/c7-1-2(8)6-4(10)3(9)5-1/h(H,5,7,9)(H,6,8,10) |
| InChIKey | IXRCBQCSNZKFHS-UHFFFAOYSA-N |
| Mol Weight | 142.07 g/mol |
| Molecular Formula | C4H2N2O4 |
| Exact Mass | 142.001457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DGLreP7jA42 |
|---|---|
| Name | Piperazine-2,3,5,6-diquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.001456548 u |
| Formula | C4H2N2O4 |
| InChI | InChI=1S/C4H2N2O4/c7-1-2(8)6-4(10)3(9)5-1/h(H,5,7,9)(H,6,8,10) |
| InChIKey | IXRCBQCSNZKFHS-UHFFFAOYSA-N |
| SMILES | C1(=O)C(=O)NC(=O)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963287 |